| Chain sequence(s) |
A: MAPLLAAAMNHAAAHPGLRSHLVGPNNESFSRHHLPSSSPQSSKRRCNLSFTTRSARVGSQNGVQMLSPSEIPQRDWFPSDFTFGAATSAYQIEGAWNEDGKGESNWDHFCHNHPERILDGSNSDIGANSYHMYKTDVRLLKEMGMDAYRFSISWPRILPKGTKEGGINPDGIKYYRNLINLLLENGIEPYVTIFHWDVPQALEEKYGGFLDKSHKSIVEDYTYFAKVCFDNFGDKVKNWLTFNEPQTFTSFSYGTGVFAPGRCSPGLDCAYPTGNSLVEPYTAGHNILLAHAEAVDLYNKHYKRDDTRIGLAFDVMGRVPYGTSFLDKQAEERSWDINLGWFLEPVVRGDYPFSMRSLARERLPFFKDEQKEKLAGSYNMLGLNYYTSRFSKNIDISPNYSPVLNTDDAYASQEVNGPDGKPIGPPMGNPWIYMYPEGLKDLLMIMKNKYGNPPIYITENGIGDVDTKETPLPMEAALNDYKRLDYIQRHIATLKESIDLGSNVQGYFAWSLLDNFEWFAGFTERYGIVYVDRNNNCTRYMKESAKWLKEFNTAKKPSKKILTPA
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:06:32)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/336755cfa61142f/tmp/folded.pdb (00:06:32)
[INFO] Main: Simulation completed successfully. (00:09:15)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 1.1814 | |
| 2 | A | A | 0.9983 | |
| 3 | P | A | 1.1269 | |
| 4 | L | A | 2.0810 | |
| 5 | L | A | 1.7894 | |
| 6 | A | A | 0.8544 | |
| 7 | A | A | 0.2302 | |
| 8 | A | A | -0.0315 | |
| 9 | M | A | -0.3501 | |
| 10 | N | A | -1.6438 | |
| 11 | H | A | -1.5404 | |
| 12 | A | A | -0.6102 | |
| 13 | A | A | -0.5671 | |
| 14 | A | A | -0.6604 | |
| 15 | H | A | -1.1713 | |
| 16 | P | A | -0.6155 | |
| 17 | G | A | -0.4109 | |
| 18 | L | A | 0.3243 | |
| 19 | R | A | -1.5075 | |
| 20 | S | A | -0.9932 | |
| 21 | H | A | -0.2631 | |
| 22 | L | A | 1.7312 | |
| 23 | V | A | 2.0208 | |
| 24 | G | A | 0.4165 | |
| 25 | P | A | -1.0168 | |
| 26 | N | A | -2.5309 | |
| 27 | N | A | -2.9244 | |
| 28 | E | A | -2.4122 | |
| 29 | S | A | -0.6137 | |
| 30 | F | A | 0.9465 | |
| 31 | S | A | -0.3239 | |
| 32 | R | A | -2.2098 | |
| 33 | H | A | -2.1201 | |
| 34 | H | A | -1.1899 | |
| 35 | L | A | 0.6733 | |
| 36 | P | A | 0.2325 | |
| 37 | S | A | -0.1752 | |
| 38 | S | A | -0.5355 | |
| 39 | S | A | -0.7238 | |
| 40 | P | A | -1.0254 | |
| 41 | Q | A | -1.5080 | |
| 42 | S | A | -1.3110 | |
| 43 | S | A | -1.7636 | |
| 44 | K | A | -3.1666 | |
| 45 | R | A | -3.6754 | |
| 46 | R | A | -2.9664 | |
| 47 | C | A | -0.8486 | |
| 48 | N | A | -0.6293 | |
| 49 | L | A | 1.2933 | |
| 50 | S | A | 1.2251 | |
| 51 | F | A | 1.7984 | |
| 52 | T | A | 0.4466 | |
| 53 | T | A | -0.6056 | |
| 54 | R | A | -1.9993 | |
| 55 | S | A | -1.3069 | |
| 56 | A | A | -1.1203 | |
| 57 | R | A | -1.4039 | |
| 58 | V | A | 0.3888 | |
| 59 | G | A | -0.8310 | |
| 60 | S | A | -1.4024 | |
| 61 | Q | A | -1.8273 | |
| 62 | N | A | -2.1856 | |
| 63 | G | A | -1.4728 | |
| 64 | V | A | -0.7219 | |
| 65 | Q | A | -0.8255 | |
| 66 | M | A | 0.2169 | |
| 67 | L | A | -0.1517 | |
| 68 | S | A | -0.5530 | |
| 69 | P | A | -0.5874 | |
| 70 | S | A | -1.0273 | |
| 71 | E | A | -1.5218 | |
| 72 | I | A | -0.5551 | |
| 73 | P | A | 0.0000 | |
| 74 | Q | A | -1.9308 | |
| 75 | R | A | -2.0732 | |
| 76 | D | A | -2.3781 | |
| 77 | W | A | -1.2097 | |
| 78 | F | A | 0.0000 | |
| 79 | P | A | -1.1925 | |
| 80 | S | A | -1.4170 | |
| 81 | D | A | -2.1020 | |
| 82 | F | A | 0.0000 | |
| 83 | T | A | -0.9457 | |
| 84 | F | A | 0.0000 | |
| 85 | G | A | 0.0000 | |
| 86 | A | A | 0.0000 | |
| 87 | A | A | 0.0000 | |
| 88 | T | A | 0.0000 | |
| 89 | S | A | 0.0000 | |
| 90 | A | A | 0.0000 | |
| 91 | Y | A | 0.0000 | |
| 92 | Q | A | 0.0000 | |
| 93 | I | A | 0.0000 | |
| 94 | E | A | 0.0000 | |
| 95 | G | A | 0.0000 | |
| 96 | A | A | 0.0000 | |
| 97 | W | A | -1.0281 | |
| 98 | N | A | -2.3160 | |
| 99 | E | A | -2.6429 | |
| 100 | D | A | -2.9130 | |
| 101 | G | A | -2.0731 | |
| 102 | K | A | 0.0000 | |
| 103 | G | A | -1.5047 | |
| 104 | E | A | -1.2797 | |
| 105 | S | A | 0.0000 | |
| 106 | N | A | 0.0000 | |
| 107 | W | A | 0.0000 | |
| 108 | D | A | 0.0000 | |
| 109 | H | A | -0.9277 | |
| 110 | F | A | 0.0000 | |
| 111 | C | A | 0.0000 | |
| 112 | H | A | -1.4933 | |
| 113 | N | A | -1.8351 | |
| 114 | H | A | -1.8116 | |
| 115 | P | A | -1.7472 | |
| 116 | E | A | -2.3351 | |
| 117 | R | A | -1.2969 | |
| 118 | I | A | 0.0000 | |
| 119 | L | A | 0.4667 | |
| 120 | D | A | -0.7181 | |
| 121 | G | A | -1.0722 | |
| 122 | S | A | -0.7375 | |
| 123 | N | A | -0.6129 | |
| 124 | S | A | 0.0000 | |
| 125 | D | A | -0.4821 | |
| 126 | I | A | 0.3546 | |
| 127 | G | A | 0.0000 | |
| 128 | A | A | 0.0000 | |
| 129 | N | A | -0.4479 | |
| 130 | S | A | 0.0000 | |
| 131 | Y | A | -0.4449 | |
| 132 | H | A | -1.0778 | |
| 133 | M | A | -0.6393 | |
| 134 | Y | A | -0.9178 | |
| 135 | K | A | -1.7215 | |
| 136 | T | A | -1.3991 | |
| 137 | D | A | 0.0000 | |
| 138 | V | A | 0.0000 | |
| 139 | R | A | -3.0562 | |
| 140 | L | A | -2.0103 | |
| 141 | L | A | 0.0000 | |
| 142 | K | A | -3.3398 | |
| 143 | E | A | -3.3117 | |
| 144 | M | A | 0.0000 | |
| 145 | G | A | -2.2812 | |
| 146 | M | A | 0.0000 | |
| 147 | D | A | -1.6320 | |
| 148 | A | A | 0.0000 | |
| 149 | Y | A | 0.0000 | |
| 150 | R | A | 0.0000 | |
| 151 | F | A | 0.0000 | |
| 152 | S | A | 0.0000 | |
| 153 | I | A | 0.0000 | |
| 154 | S | A | 0.0000 | |
| 155 | W | A | 0.0000 | |
| 156 | P | A | 0.0000 | |
| 157 | R | A | 0.0000 | |
| 158 | I | A | 0.0000 | |
| 159 | L | A | 0.0000 | |
| 160 | P | A | -1.2371 | |
| 161 | K | A | -2.4154 | |
| 162 | G | A | 0.0000 | |
| 163 | T | A | -2.1382 | |
| 164 | K | A | -2.9172 | |
| 165 | E | A | -2.8910 | |
| 166 | G | A | -1.9728 | |
| 167 | G | A | -1.1923 | |
| 168 | I | A | -0.1247 | |
| 169 | N | A | 0.0000 | |
| 170 | P | A | -1.3340 | |
| 171 | D | A | -2.6374 | |
| 172 | G | A | 0.0000 | |
| 173 | I | A | -1.2122 | |
| 174 | K | A | -2.5169 | |
| 175 | Y | A | 0.0000 | |
| 176 | Y | A | 0.0000 | |
| 177 | R | A | -1.5644 | |
| 178 | N | A | -1.3342 | |
| 179 | L | A | 0.0000 | |
| 180 | I | A | 0.0000 | |
| 181 | N | A | -0.9891 | |
| 182 | L | A | -1.1658 | |
| 183 | L | A | 0.0000 | |
| 184 | L | A | -0.9027 | |
| 185 | E | A | -1.9399 | |
| 186 | N | A | -2.0636 | |
| 187 | G | A | -1.5953 | |
| 188 | I | A | 0.0000 | |
| 189 | E | A | -1.4133 | |
| 190 | P | A | 0.0000 | |
| 191 | Y | A | 0.0000 | |
| 192 | V | A | 0.0000 | |
| 193 | T | A | 0.0000 | |
| 194 | I | A | 0.0000 | |
| 195 | F | A | 0.0000 | |
| 196 | H | A | 0.0000 | |
| 197 | W | A | 0.0000 | |
| 198 | D | A | 0.0000 | |
| 199 | V | A | 0.0000 | |
| 200 | P | A | 0.0000 | |
| 201 | Q | A | 0.0000 | |
| 202 | A | A | -1.8444 | |
| 203 | L | A | 0.0000 | |
| 204 | E | A | -1.7475 | |
| 205 | E | A | -2.7910 | |
| 206 | K | A | -2.7795 | |
| 207 | Y | A | -1.5708 | |
| 208 | G | A | -1.3232 | |
| 209 | G | A | 0.0000 | |
| 210 | F | A | 0.0000 | |
| 211 | L | A | -0.4259 | |
| 212 | D | A | 0.0000 | |
| 213 | K | A | -2.1224 | |
| 214 | S | A | -1.7044 | |
| 215 | H | A | -1.9492 | |
| 216 | K | A | -2.7336 | |
| 217 | S | A | -2.0407 | |
| 218 | I | A | 0.0000 | |
| 219 | V | A | 0.0000 | |
| 220 | E | A | -2.6577 | |
| 221 | D | A | -2.0064 | |
| 222 | Y | A | 0.0000 | |
| 223 | T | A | -0.9908 | |
| 224 | Y | A | -1.0184 | |
| 225 | F | A | 0.0000 | |
| 226 | A | A | 0.0000 | |
| 227 | K | A | -1.1440 | |
| 228 | V | A | 0.0000 | |
| 229 | C | A | 0.0000 | |
| 230 | F | A | 0.0000 | |
| 231 | D | A | -2.4915 | |
| 232 | N | A | -1.9107 | |
| 233 | F | A | 0.0000 | |
| 234 | G | A | 0.0000 | |
| 235 | D | A | -2.5769 | |
| 236 | K | A | -1.6806 | |
| 237 | V | A | 0.0000 | |
| 238 | K | A | -2.1291 | |
| 239 | N | A | 0.0000 | |
| 240 | W | A | 0.0000 | |
| 241 | L | A | 0.0000 | |
| 242 | T | A | 0.0000 | |
| 243 | F | A | 0.0000 | |
| 244 | N | A | 0.0000 | |
| 245 | E | A | 0.0000 | |
| 246 | P | A | 0.0000 | |
| 247 | Q | A | -0.1435 | |
| 248 | T | A | -0.0377 | |
| 249 | F | A | 0.0000 | |
| 250 | T | A | 0.0000 | |
| 251 | S | A | 0.0000 | |
| 252 | F | A | 0.2818 | |
| 253 | S | A | 0.0000 | |
| 254 | Y | A | 0.0000 | |
| 255 | G | A | 0.0000 | |
| 256 | T | A | 0.0492 | |
| 257 | G | A | 0.0000 | |
| 258 | V | A | 0.1862 | |
| 259 | F | A | 0.0000 | |
| 260 | A | A | 0.0000 | |
| 261 | P | A | -0.0577 | |
| 262 | G | A | 0.0000 | |
| 263 | R | A | -0.4129 | |
| 264 | C | A | 0.0000 | |
| 265 | S | A | -0.4112 | |
| 266 | P | A | -0.7833 | |
| 267 | G | A | -0.8432 | |
| 268 | L | A | -0.6257 | |
| 269 | D | A | -1.5302 | |
| 270 | C | A | 0.0000 | |
| 271 | A | A | -0.5657 | |
| 272 | Y | A | 0.2200 | |
| 273 | P | A | -0.5319 | |
| 274 | T | A | -0.2543 | |
| 275 | G | A | -0.4011 | |
| 276 | N | A | -0.4928 | |
| 277 | S | A | 0.0000 | |
| 278 | L | A | 0.4925 | |
| 279 | V | A | -0.0530 | |
| 280 | E | A | -0.3787 | |
| 281 | P | A | 0.0000 | |
| 282 | Y | A | 0.0000 | |
| 283 | T | A | 0.0000 | |
| 284 | A | A | 0.0000 | |
| 285 | G | A | 0.0000 | |
| 286 | H | A | 0.0000 | |
| 287 | N | A | 0.0000 | |
| 288 | I | A | 0.0000 | |
| 289 | L | A | 0.0000 | |
| 290 | L | A | 0.0000 | |
| 291 | A | A | 0.0000 | |
| 292 | H | A | 0.0000 | |
| 293 | A | A | 0.0000 | |
| 294 | E | A | -1.3981 | |
| 295 | A | A | 0.0000 | |
| 296 | V | A | 0.0000 | |
| 297 | D | A | -2.2133 | |
| 298 | L | A | -1.7067 | |
| 299 | Y | A | 0.0000 | |
| 300 | N | A | -2.9177 | |
| 301 | K | A | -2.9851 | |
| 302 | H | A | -2.6150 | |
| 303 | Y | A | -2.1579 | |
| 304 | K | A | -2.8490 | |
| 305 | R | A | -3.2364 | |
| 306 | D | A | -3.3537 | |
| 307 | D | A | -3.2506 | |
| 308 | T | A | 0.0000 | |
| 309 | R | A | -1.6620 | |
| 310 | I | A | 0.0000 | |
| 311 | G | A | 0.0000 | |
| 312 | L | A | 0.0000 | |
| 313 | A | A | 0.0000 | |
| 314 | F | A | 0.0000 | |
| 315 | D | A | -0.1799 | |
| 316 | V | A | 0.0000 | |
| 317 | M | A | 0.1639 | |
| 318 | G | A | 0.0000 | |
| 319 | R | A | 0.0000 | |
| 320 | V | A | -0.5963 | |
| 321 | P | A | -0.6193 | |
| 322 | Y | A | -0.6244 | |
| 323 | G | A | -0.3016 | |
| 324 | T | A | 0.0836 | |
| 325 | S | A | 0.3522 | |
| 326 | F | A | 1.2263 | |
| 327 | L | A | -0.0223 | |
| 328 | D | A | 0.0000 | |
| 329 | K | A | -1.7758 | |
| 330 | Q | A | -1.7575 | |
| 331 | A | A | 0.0000 | |
| 332 | E | A | 0.0000 | |
| 333 | E | A | -2.5213 | |
| 334 | R | A | -1.2983 | |
| 335 | S | A | 0.0000 | |
| 336 | W | A | 0.0000 | |
| 337 | D | A | -0.5761 | |
| 338 | I | A | 0.0000 | |
| 339 | N | A | 0.0000 | |
| 340 | L | A | 0.0000 | |
| 341 | G | A | 0.0000 | |
| 342 | W | A | 0.0000 | |
| 343 | F | A | 0.0000 | |
| 344 | L | A | 0.0000 | |
| 345 | E | A | -0.1741 | |
| 346 | P | A | 0.0000 | |
| 347 | V | A | 0.0000 | |
| 348 | V | A | -0.2626 | |
| 349 | R | A | -1.1300 | |
| 350 | G | A | 0.0000 | |
| 351 | D | A | -0.7421 | |
| 352 | Y | A | 0.0000 | |
| 353 | P | A | 0.0000 | |
| 354 | F | A | 1.7251 | |
| 355 | S | A | 0.3300 | |
| 356 | M | A | 0.0000 | |
| 357 | R | A | -0.2631 | |
| 358 | S | A | -0.3372 | |
| 359 | L | A | -0.2185 | |
| 360 | A | A | 0.0000 | |
| 361 | R | A | -2.6308 | |
| 362 | E | A | -2.5338 | |
| 363 | R | A | -1.3640 | |
| 364 | L | A | 0.0000 | |
| 365 | P | A | -0.0641 | |
| 366 | F | A | 0.6065 | |
| 367 | F | A | 0.0000 | |
| 368 | K | A | -3.2335 | |
| 369 | D | A | -4.1979 | |
| 370 | E | A | -4.3764 | |
| 371 | Q | A | -3.3964 | |
| 372 | K | A | -3.5745 | |
| 373 | E | A | -4.1057 | |
| 374 | K | A | -2.9818 | |
| 375 | L | A | 0.0000 | |
| 376 | A | A | -1.3947 | |
| 377 | G | A | -0.9540 | |
| 378 | S | A | 0.0000 | |
| 379 | Y | A | -0.2671 | |
| 380 | N | A | -0.4955 | |
| 381 | M | A | 0.0000 | |
| 382 | L | A | 0.0000 | |
| 383 | G | A | 0.0000 | |
| 384 | L | A | 0.0000 | |
| 385 | N | A | 0.0000 | |
| 386 | Y | A | 0.0000 | |
| 387 | Y | A | 0.0000 | |
| 388 | T | A | 0.0000 | |
| 389 | S | A | 0.0000 | |
| 390 | R | A | 0.0000 | |
| 391 | F | A | -0.2179 | |
| 392 | S | A | 0.0000 | |
| 393 | K | A | -1.2628 | |
| 394 | N | A | 0.0000 | |
| 395 | I | A | -0.1609 | |
| 396 | D | A | -0.8036 | |
| 397 | I | A | 1.0147 | |
| 398 | S | A | -0.0712 | |
| 399 | P | A | -0.6562 | |
| 400 | N | A | -1.2454 | |
| 401 | Y | A | -0.2000 | |
| 402 | S | A | 0.2107 | |
| 403 | P | A | 0.8914 | |
| 404 | V | A | 1.4806 | |
| 405 | L | A | 0.8820 | |
| 406 | N | A | 0.0000 | |
| 407 | T | A | 0.1439 | |
| 408 | D | A | 0.2370 | |
| 409 | D | A | 0.0000 | |
| 410 | A | A | 0.0000 | |
| 411 | Y | A | -0.0776 | |
| 412 | A | A | 0.0000 | |
| 413 | S | A | -0.7731 | |
| 414 | Q | A | -1.0262 | |
| 415 | E | A | -1.3018 | |
| 416 | V | A | -0.9421 | |
| 417 | N | A | -2.0098 | |
| 418 | G | A | 0.0000 | |
| 419 | P | A | -1.8440 | |
| 420 | D | A | -2.7842 | |
| 421 | G | A | -2.4580 | |
| 422 | K | A | -2.7991 | |
| 423 | P | A | -1.6114 | |
| 424 | I | A | 0.0000 | |
| 425 | G | A | -0.5606 | |
| 426 | P | A | -0.4657 | |
| 427 | P | A | -0.3745 | |
| 428 | M | A | 0.0000 | |
| 429 | G | A | -0.5198 | |
| 430 | N | A | 0.0000 | |
| 431 | P | A | 0.0263 | |
| 432 | W | A | -0.0023 | |
| 433 | I | A | 0.0000 | |
| 434 | Y | A | 0.0824 | |
| 435 | M | A | 0.0000 | |
| 436 | Y | A | -0.4264 | |
| 437 | P | A | -1.1203 | |
| 438 | E | A | -2.2604 | |
| 439 | G | A | 0.0000 | |
| 440 | L | A | 0.0000 | |
| 441 | K | A | -1.9514 | |
| 442 | D | A | -1.9988 | |
| 443 | L | A | 0.0000 | |
| 444 | L | A | 0.0000 | |
| 445 | M | A | -1.0994 | |
| 446 | I | A | -1.3370 | |
| 447 | M | A | 0.0000 | |
| 448 | K | A | -1.8666 | |
| 449 | N | A | -2.3791 | |
| 450 | K | A | -2.4473 | |
| 451 | Y | A | -1.4143 | |
| 452 | G | A | -1.4577 | |
| 453 | N | A | -1.4827 | |
| 454 | P | A | 0.0000 | |
| 455 | P | A | -0.5071 | |
| 456 | I | A | 0.0000 | |
| 457 | Y | A | 0.0000 | |
| 458 | I | A | 0.0000 | |
| 459 | T | A | 0.0000 | |
| 460 | E | A | 0.0000 | |
| 461 | N | A | 0.0000 | |
| 462 | G | A | 0.0000 | |
| 463 | I | A | 0.0000 | |
| 464 | G | A | 0.0000 | |
| 465 | D | A | -0.1475 | |
| 466 | V | A | 0.3567 | |
| 467 | D | A | -0.6051 | |
| 468 | T | A | -1.4021 | |
| 469 | K | A | -2.7632 | |
| 470 | E | A | -2.7506 | |
| 471 | T | A | -1.4891 | |
| 472 | P | A | -1.1457 | |
| 473 | L | A | -0.4623 | |
| 474 | P | A | -0.6094 | |
| 475 | M | A | -0.6105 | |
| 476 | E | A | -1.8057 | |
| 477 | A | A | -0.8793 | |
| 478 | A | A | 0.0000 | |
| 479 | L | A | -0.5724 | |
| 480 | N | A | -1.2458 | |
| 481 | D | A | 0.0000 | |
| 482 | Y | A | 0.3590 | |
| 483 | K | A | -0.4675 | |
| 484 | R | A | 0.0000 | |
| 485 | L | A | -0.0671 | |
| 486 | D | A | 0.0000 | |
| 487 | Y | A | 0.0000 | |
| 488 | I | A | 0.0000 | |
| 489 | Q | A | 0.0000 | |
| 490 | R | A | -0.5242 | |
| 491 | H | A | 0.0000 | |
| 492 | I | A | 0.0000 | |
| 493 | A | A | -0.9862 | |
| 494 | T | A | -1.5571 | |
| 495 | L | A | 0.0000 | |
| 496 | K | A | -1.7296 | |
| 497 | E | A | -2.3950 | |
| 498 | S | A | 0.0000 | |
| 499 | I | A | -1.1076 | |
| 500 | D | A | -1.9800 | |
| 501 | L | A | -0.4840 | |
| 502 | G | A | -0.8471 | |
| 503 | S | A | 0.0000 | |
| 504 | N | A | -0.7704 | |
| 505 | V | A | 0.0000 | |
| 506 | Q | A | -0.6976 | |
| 507 | G | A | 0.0000 | |
| 508 | Y | A | 0.0000 | |
| 509 | F | A | 0.0000 | |
| 510 | A | A | 0.0000 | |
| 511 | W | A | 0.0000 | |
| 512 | S | A | 0.0000 | |
| 513 | L | A | 0.0000 | |
| 514 | L | A | 0.0000 | |
| 515 | D | A | 0.0000 | |
| 516 | N | A | 0.0000 | |
| 517 | F | A | 0.0000 | |
| 518 | E | A | -0.1358 | |
| 519 | W | A | 0.0000 | |
| 520 | F | A | 0.3189 | |
| 521 | A | A | 0.0000 | |
| 522 | G | A | 0.0000 | |
| 523 | F | A | 0.0000 | |
| 524 | T | A | 0.0000 | |
| 525 | E | A | 0.0000 | |
| 526 | R | A | 0.0000 | |
| 527 | Y | A | 0.0000 | |
| 528 | G | A | 0.0000 | |
| 529 | I | A | 0.0000 | |
| 530 | V | A | 0.0000 | |
| 531 | Y | A | 0.0000 | |
| 532 | V | A | 0.0000 | |
| 533 | D | A | 0.0000 | |
| 534 | R | A | -2.0576 | |
| 535 | N | A | -2.5939 | |
| 536 | N | A | -2.7492 | |
| 537 | N | A | -2.3968 | |
| 538 | C | A | 0.0000 | |
| 539 | T | A | -1.0312 | |
| 540 | R | A | 0.0000 | |
| 541 | Y | A | 0.6330 | |
| 542 | M | A | -0.3093 | |
| 543 | K | A | 0.0000 | |
| 544 | E | A | -1.1070 | |
| 545 | S | A | 0.0000 | |
| 546 | A | A | 0.0000 | |
| 547 | K | A | -2.2927 | |
| 548 | W | A | -1.5182 | |
| 549 | L | A | 0.0000 | |
| 550 | K | A | -2.6643 | |
| 551 | E | A | -2.8190 | |
| 552 | F | A | 0.0000 | |
| 553 | N | A | -2.0792 | |
| 554 | T | A | -1.8824 | |
| 555 | A | A | -2.3431 | |
| 556 | K | A | -3.0557 | |
| 557 | K | A | -3.4252 | |
| 558 | P | A | -2.5969 | |
| 559 | S | A | -2.1224 | |
| 560 | K | A | -2.1168 | |
| 561 | K | A | -1.1913 | |
| 562 | I | A | 1.3356 | |
| 563 | L | A | 1.6768 | |
| 564 | T | A | 0.9503 | |
| 565 | P | A | 0.4401 | |
| 566 | A | A | 0.1319 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.4999 | 3.9248 | View | CSV | PDB |
| 4.5 | -0.5513 | 3.9248 | View | CSV | PDB |
| 5.0 | -0.6136 | 3.9248 | View | CSV | PDB |
| 5.5 | -0.6734 | 3.9248 | View | CSV | PDB |
| 6.0 | -0.7161 | 3.9248 | View | CSV | PDB |
| 6.5 | -0.7329 | 3.9248 | View | CSV | PDB |
| 7.0 | -0.7254 | 3.9248 | View | CSV | PDB |
| 7.5 | -0.7022 | 3.9248 | View | CSV | PDB |
| 8.0 | -0.6699 | 3.9248 | View | CSV | PDB |
| 8.5 | -0.6305 | 3.9248 | View | CSV | PDB |
| 9.0 | -0.584 | 3.9248 | View | CSV | PDB |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine